CID 27965

5-methoxygramine

Structural Information

Molecular Formula
C12H16N2O
SMILES
CN(C)CC1=CNC2=C1C=C(C=C2)OC
InChI
InChI=1S/C12H16N2O/c1-14(2)8-9-7-13-12-5-4-10(15-3)6-11(9)12/h4-7,13H,8H2,1-3H3
InChIKey
GOERTRUXQHDLHC-UHFFFAOYSA-N
Compound name
1-(5-methoxy-1H-indol-3-yl)-N,N-dimethylmethanamine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

8
References

1228
Patents

204.12627 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.13355 144.6
[M+Na]+ 227.11549 153.8
[M-H]- 203.11899 148.5
[M+NH4]+ 222.16009 165.4
[M+K]+ 243.08943 151.1
[M+H-H2O]+ 187.12353 137.9
[M+HCOO]- 249.12447 169.2
[M+CH3COO]- 263.14012 190.1
[M+Na-2H]- 225.10094 150.6
[M]+ 204.12572 147.9
[M]- 204.12682 147.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe